2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid

C17H32N2O2 — CID 83045392

IUPAC2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
SMILESCCCC1CCCCN1CCCC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-3-7-15-8-4-5-12-19(15)13-6-11-17(2,16(20)21)18-14-9-10-14/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyFQONSNUJXZOPNR-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.02
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid

2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid (PubChem CID 83045392) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
PubChem CID83045392
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
SMILESCCCC1CCCCN1CCCC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-3-7-15-8-4-5-12-19(15)13-6-11-17(2,16(20)21)18-14-9-10-14/h14-15,18H,3-13H2,1-2H3,(H,20,21)
InChIKeyFQONSNUJXZOPNR-UHFFFAOYSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-(2-propylpiperidin-1-yl)pentan-1-ol
CID 106809824
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
5-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104691702
2-(ethylamino)-2-methyl-6-(2-propylpiperidin-1-yl)hexan-1-ol
CID 83056941
1-pentyl-2-propylpiperidine
CID 54429991
2,2-dimethyl-6-(2-propylpiperidin-1-yl)hexanenitrile
CID 106710103
2-methyl-2-(methylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062210
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 63623601
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83062373
1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid
CID 175874740
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
CID 55040284
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid (CID 83045392) is 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid is CCCC1CCCCN1CCCC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid?
The InChIKey is FQONSNUJXZOPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-7-15-8-4-5-12-19(15)13-6-11-17(2,16(20)21)18-14-9-10-14/h14-15,18H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid?
2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid has a molecular weight of 296.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 83045392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).